GBAZ segregation thickness and solute concentration effect on the mechanical properties in polycrystalline Ag‐doped Cu alloy

Abstract

Abstract Utilising molecular dynamics simulation, the effect of segregation thickness and solute concentration on the mechanical properties of poly‐crystalline Ag‐doped Cu alloy are explored. The alloying atoms are dispersed randomly nearby grain boundaries with equidistant offset method. The dispersed domains are restricted in grain boundary affect zone. The uniaxial tensile simulation results indicate that dispersed alloying atoms exert a negative effect on the tensile behaviours of Ag‐doped Cu alloy and its peak stress decreases as the increasing of segregation thickness and solute concentration. Moreover, the corresponding tensile deformation mechanisms are analysed according to the observed dislocation activities and structure evolutions.